SCHEMBL2639461

SCHEMBL2639461

CN(C)c1ccc(C(=O)CS)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HPGD P15428 2/20 0.59
MAPT P10636 2/20 0.59
HDAC1 Q13547 9/20 0.55
HDAC6 Q9UBN7 9/20 0.55
HDAC10 Q969S8 7/20 0.55
HDAC8 Q9BY41 6/20 0.55
HDAC2 Q92769 5/20 0.55
HDAC3 O15379 3/20 0.55
HDAC4 P56524 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
RAB9A P51151 3/20 0.52
NPC1 O15118 3/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25424836 0.83 ALDH1A1 (0.64) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL11673763 0.82 HDAC3 (0.67) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL22367578 0.81 ALDH1A1 (0.61) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL303244 0.81 ALDH1A1 (0.61) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL14408115 0.81 ALDH1A1 (0.61) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL14408116 0.81 ALDH1A1 (0.61) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL4261547 0.80 HDAC3 (0.54) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL10001068 0.79 GSK3B (0.61) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL2639458 0.79 ALDH1A1 (0.59) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL774179 0.79 GSK3B (0.61) ALDH1A1HPGDMAPTHDAC1HDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP claimed
JP-4603265-B2 2010-12-22 JP claimed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US claimed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP claimed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US claimed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO claimed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP disclosed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US disclosed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A ALDH1A1 3345/4885HPGD 4573/4885MAPT 4637/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.